cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C30H32N2O5 — CID 93337108

IUPACcyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1cccc([C@@H]2c3cc(OCc4ccc(C(=O)N5CCOCC5)o4)ccc3CCN2C(=O)C2CC2)c1
InChIInChI=1S/C30H32N2O5/c1-20-3-2-4-23(17-20)28-26-18-24(8-7-21(26)11-12-32(28)29(33)22-5-6-22)36-19-25-9-10-27(37-25)30(34)31-13-15-35-16-14-31/h2-4,7-10,17-18,22,28H,5-6,11-16,19H2,1H3/t28-/m1/s1
InChIKeyICYUOGNBTXTVAM-MUUNZHRXSA-N
MW500.60 g/mol
LogP4.52
Rot. Bonds6

About cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 93337108) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID93337108
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Namecyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1cccc([C@@H]2c3cc(OCc4ccc(C(=O)N5CCOCC5)o4)ccc3CCN2C(=O)C2CC2)c1
InChIInChI=1S/C30H32N2O5/c1-20-3-2-4-23(17-20)28-26-18-24(8-7-21(26)11-12-32(28)29(33)22-5-6-22)36-19-25-9-10-27(37-25)30(34)31-13-15-35-16-14-31/h2-4,7-10,17-18,22,28H,5-6,11-16,19H2,1H3/t28-/m1/s1
InChIKeyICYUOGNBTXTVAM-MUUNZHRXSA-N
XLogP4.52
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

1-[4-[5-[[(1S)-2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 98351709
cyclopentyl-[(1R)-1-(4-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 93336798
1-[1-(3-methylphenyl)-7-[[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 42861298
5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-ethylfuran-2-carboxamide
CID 42861054
5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 46058992
5-[[(1R)-2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 93337212
5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide
CID 42861055
5-[[2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide
CID 46059014
5-[[(1R)-2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 93337116
5-[[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 42861254
N,N-diethyl-5-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxamide
CID 46059231
5-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 46058971

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 93337108) is cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cc1cccc([C@@H]2c3cc(OCc4ccc(C(=O)N5CCOCC5)o4)ccc3CCN2C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is ICYUOGNBTXTVAM-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-20-3-2-4-23(17-20)28-26-18-24(8-7-21(26)11-12-32(28)29(33)22-5-6-22)36-19-25-9-10-27(37-25)30(34)31-13-15-35-16-14-31/h2-4,7-10,17-18,22,28H,5-6,11-16,19H2,1H3/t28-/m1/s1.
What are the key properties of cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 500.60 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 93337108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).